Basic information
- CAS
59342-81-3- Standard SMILES
CCOC(=O)Oc1ccc([N+](=O)[O-])c(C=O)c1- InChIKey
XDSNNVUKVKTMCB-UHFFFAOYSA-N- Molecular formula
- C10H9NO6
- Average molar mass
- 239.18 g/mol
- Monoisotopic mass
- 239.04298701
Overview
See also: Ethyl 3-formyl-4-nitrophenyl carbonate (annotation moved to).
Names & identifiers
- Preferred name
- Ethyl (3-formyl-4-nitro-phenyl) carbonate
- IUPAC
- ethyl (3-formyl-4-nitrophenyl) carbonate
Names & synonyms
59342-81-3ethyl (3-formyl-4-nitro-phenyl) carbonateethyl (3-formyl-4-nitrophenyl) carbonateNSC364655SCHEMBL8577525DTXSID30320804XDSNNVUKVKTMCB-UHFFFAOYSA-N3-formyl-4-nitrophenyl ethyl carbonateNSC-364655DS-000061ETHYL 3-FORMYL-4-NITROPHENYL CARBONATE10.14272/XDSNNVUKVKTMCB-UHFFFAOYSA-N.1
Show more names
doi:10.14272/XDSNNVUKVKTMCB-UHFFFAOYSA-N.1
Database identifiers
- CAS
59342-81-3- PubChem CID
- 339208
- DTXSID
DTXSID30320804
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Related reactions
3 records
Compound notes
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